Gaussian Troubleshooting
Location Transition States: Identical Atom Ordering for QST2 or QST3 jobs
Step 1 - Open a new "Molecule Group" in Gaussview
Step 2 - Draw the reactant molecules
Step 3 - Click "Edit" and then "Copy"
Step 4 - Click "Edit" and then "Paste" and select "Add to Molecule Group"
Checkpoint: Click "View" and select "Labels" to confirm order of atoms
Step 5 - Click "View Both" in toolbar, modify the structures
Checkpoint: Optimize individual structure separately and cut-paste to the molecule group replacing the unoptimized structure
Step 6 - Submit QST2 job or repeat from Step 3 for QST3
Checkpoint: For submitting job, click "Calculate", select "Job Type", select "Optimization" and set "Optimization to a" - TS(QST2) or TS(QST3)